3OF4

crystal structure of a fmn/fad- and nad(p)h-dependent nitroreductase (nfnb, il2077) from idiomarina loihiensis l2tr at 1.90 a resolution

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 235
  • Norm. En. per Res.: -5.107
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-256.6664	-77.109	-866.376	-1200.1514	235	34	34	36464	7	45	43
A-C	0.0	0.0	-6.806	-6.806	12	0	0	269	0	2	0

Interface residues

• A-B: ALA12A, ALA12B, ALA134A, ALA134B, ALA144A, ALA144B, ALA145A, ALA145B, ALA146A, ALA146B, ALA37A, ALA37B, ALA79A, ALA79B, ARG100A, ARG100B, ARG10A, ARG10B, ARG132A, ARG132B, ARG198A, ARG198B, ARG203A, ARG203B, ARG34A, ARG34B, ARG51A, ARG51B, ASN31A, ASN31B, ASN52A, ASN52B, ASP23A, ASP23B, ASP24A, ASP24B, ASP27A, ASP27B, ASP87A, ASP87B, ASP90B, CYS153A, CYS153B, CYS46A, CYS46B, GLN101A, GLN101B, GLN133A, GLN133B, GLN194A, GLN194B, GLN199A, GLN199B, GLN43A, GLN43B, GLN66A, GLN66B, GLN7A, GLN7B, GLN8A, GLN8B, GLN98A, GLN98B, GLN99A, GLN99B, GLU128A, GLU128B, GLU147A, GLU147B, GLU156A, GLU156B, GLU4A, GLU4B, GLU95A, GLU95B, GLY137A, GLY137B, GLY139A, GLY139B, GLY157A, GLY157B, GLY41A, GLY41B, HIS160A, HIS160B, ILE136A, ILE136B, ILE166A, ILE166B, ILE50A, ILE50B, ILE77A, ILE77B, ILE88A, ILE88B, ILE93A, ILE93B, LEU102A, LEU102B, LEU138A, LEU138B, LEU142A, LEU142B, LEU143A, LEU143B, LEU148A, LEU148B, LEU167A, LEU167B, LEU169A, LEU169B, LEU172A, LEU172B, LEU174A, LEU174B, LEU201A, LEU201B, LEU208A, LEU208B, LEU26A, LEU26B, LEU29A, LEU29B, LEU30A, LEU30B, LEU35A, LEU35B, LEU3A, LEU3B, LEU42A, LEU42B, LEU48A, LEU48B, LEU55A, LEU55B, LEU59A, LEU59B, LEU6A, LEU6B, LEU75A, LEU75B, LEU96A, LEU96B, LYS117B, LYS127A, LYS127B, LYS195A, LYS195B, LYS196A, LYS196B, LYS205A, LYS205B, LYS28A, LYS28B, LYS5A, LYS5B, LYS81A, LYS81B, PHE141A, PHE141B, PHE178A, PHE178B, PHE193A, PHE193B, PHE204A, PHE204B, PHE78A, PHE78B, PRO154A, PRO154B, PRO200A, PRO200B, PRO44A, PRO44B, PRO91A, PRO91B, SER168A, SER168B, SER202A, SER202B, SER38A, SER38B, SER39A, SER39B, SER94A, SER94B, SER97A, SER97B, THR140A, THR140B, THR176A, THR176B, THR191A, THR191B, THR22A, THR32A, THR32B, THR33A, THR33B, THR36A, THR36B, THR47A, THR47B, TRP129A, TRP129B, TRP9A, TRP9B, TYR11A, TYR11B, TYR135A, TYR135B, TYR163A, TYR2A, TYR2B, TYR40A, TYR40B, TYR45A, TYR45B, TYR92A, TYR92B, VAL131A, VAL131B, VAL177A, VAL177B, VAL197A, VAL197B, VAL206A, VAL206B, VAL207A, VAL207B, VAL49A, VAL49B, VAL76A, VAL76B, VAL89B
• A-C: ARG100C, ASN61A, GLN101C, GLN66A, GLN67A, GLN98C, GLN99C, GLY65A, LYS68A, PHE64A, SER63A, VAL60A